SCHEMBL18538484

SCHEMBL18538484

CCCCCCCCCCc1ccc(C(=O)OCCOc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.53
RARB P10826 4/20 0.52
PLA2G4B P0C869 2/20 0.52
RARA P10276 1/20 0.52
MTOR P42345 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18538506 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL18538490 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL18538499 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL18297769 0.91 TP53 (0.66) ALDH1A1MAPTRAB9ATP53TSHR
SCHEMBL18297773 0.89 MAPT (0.63) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL18297775 0.89 MAPT (0.67) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL7545269 0.88 ESR1 (0.65) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL18538491 0.88 MAPT (0.60) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL20464839 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL20464806 0.88 TSHR (0.66) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682594-B2 Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same THE PILOT INK CO., LTD. (JP) 2017-06-20 US disclosed
US-20170050460-A1 THERMOCHROMIC COLOR-MEMORY COMPOSITION AND THERMOCHROMIC COLOR-MEMORY MICROCAPSULE PIGMENT ENCAPSULATING SAME THE PILOT INK CO., LTD. (JP) 2017-02-23 US disclosed